In-Silico Structure Database (LMISSD)
Common Name
TG(36:0/35:0/18:2(6Z,9Z))
Systematic Name
1-hexatriacontanoyl-2-pentatriacontanoyl-3-(6Z,9Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301K28C
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1377.346690
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
YAMYQWKQJVYLJT-DQFMONALSA-N
InChi (Click to copy)
InChI=1S/C92H176O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-48-49-51-53-55-57-59-61-64-67-70-73-76-79-82-85-91(94)97-88-89(87-96-90(93)84-81-78-75-72-69-66-63-27-24-21-18-15-12-9-6-3)98-92(95)86-83-80-77-74-71-68-65-62-60-58-56-54-52-50-47-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,63,69,72,89H,4-26,28-62,64-68,70-71,73-88H2,1-3H3/b63-27-,72-69-/t89-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O